SCHEMBL28596285

SCHEMBL28596285

CCCCC(CC)C[n+]1ccc(-c2cc[nH+]cc2)cc1.F[B-](F)(F)F.F[B-](F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 7/20 0.36
CYP3A4 P08684 4/20 0.36
CA2 P00918 1/20 0.36
TSHR P16473 3/20 0.33
MAPK1 P28482 1/20 0.33
PRSS1 P07477 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28602049 0.88 MEN1 (0.34) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL13061797 0.85 MEN1 (0.52) MEN1TP53CYP1A2CYP2D6MAPT
Iodide SCHEMBL5455905 0.83 HTT (0.53) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL12566375 0.77 MAPT (0.43) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL21219522 0.76 MEN1 (0.32) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL13602108 0.74 MEN1 (0.41) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL18883514 0.72 MEN1 (0.39) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL3447497 0.72 ALDH1A1 (0.48) MEN1TP53CYP1A2CYP2D6MAPT
Bromide SCHEMBL5683015 0.71 CHKA (0.50) LMNAHTTSMN1; SMN2ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL3446376 0.71 LMNA (0.47) MAPTLMNAHTTNPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109690395-B Color shift mitigation in electrochromic devices 金泰克斯公司 2021-06-15 CN disclosed